3-[(4-chlorophenyl)sulfanylmethyl]-N5-(phenylmethyl)-N4-prop-2-enyl-1,2-oxazole-4,5-dicarboxamide

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N5-(phenylmethyl)-N4-prop-2-enyl-1,2-oxazole-4,5-dicarboxamide Openeye Name: N4-allyl-N5-benzyl-3-[(4-chlorophenyl)sulfanylmethyl]isoxazole-4,5-dicarboxamide CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-N5-(phenylmethyl)-N4-prop-2-enylisoxazole-4,5-dicarboxamide IUPAC Name: 5-N-benzyl-3-[(4-chlorophenyl)sulfanylmethyl]-4-N-prop-2-enyl-1,2-oxazole-4,5-dicarboxamide Traditional Name: N-allyl-N'-benzyl-3-[[(4-chlorophenyl)thio]methyl]isoxazole-4,5-dicarboxamide Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H20ClN3O3S/c1-2-12-24-21(27)19-18(14-30-17-10-8-16(23)9-11-17)26-29-20(19)22(28)25-13-15-6-4-3-5-7-15/h2-11H,1,12-14H2,(H,24,27)(H,25,28)